4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine
Basic information
- CAS
890093-91-1- Standard SMILES
Nc1nonc1-n1nncc1-c1ccc2c(c1)OCO2- InChIKey
XLECHWDKFHNPRF-UHFFFAOYSA-N- Molecular formula
- C11H8N6O3
- Average molar mass
- 272.22 g/mol
- Monoisotopic mass
- 272.06578814
Names & identifiers
- Preferred name
- 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine
- IUPAC
- 4-[5-(1,3-benzodioxol-5-yl)triazol-1-yl]-1,2,5-oxadiazol-3-amine
Names & synonyms
890093-91-14-[5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-amine4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amineRefChem:2882744-(5-(Benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine4-[5-(2H-1,3-BENZODIOXOL-5-YL)-1H-1,2,3-TRIAZOL-1-YL]-1,2,5-OXADIAZOL-3-AMINEXLECHWDKFHNPRF-UHFFFAOYSA-NDTXSID3011445994-[5-(1,3-benzodioxol-5-yl)triazol-1-yl]-1,2,5-oxadiazol-3-amineMFCD06809683NSC763886SBB013712
Show more names
STK784785AKOS003593337NSC-763886CS-03220091,2,5-Oxadiazol-3-amine, 4-[5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-4-(5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1,2,3-triazolyl)-1,2,5-oxadiazole-3-yl amine
Database identifiers
- CAS
890093-91-1- PubChem CID
- 4778029
- DTXSID
DTXSID301144599
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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